ethyl (2R)-2-deuterio-2-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]acetate

C13H15NO4 — CID 10705794

IUPACethyl (2R)-2-deuterio-2-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]acetate
SMILES[2H][C@H](C(=O)OCC)N1C(=O)CO[C@@H]1c1ccccc1
InChIInChI=1S/C13H15NO4/c1-2-17-12(16)8-14-11(15)9-18-13(14)10-6-4-3-5-7-10/h3-7,13H,2,8-9H2,1H3/t13-/m1/s1/i8D/t8-,13-
InChIKeyDTSVNOSQPFYEDC-WXPAUTTBSA-N
MW250.27 g/mol
LogP1.11
Rot. Bonds4

About ethyl (2R)-2-deuterio-2-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]acetate

ethyl (2R)-2-deuterio-2-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]acetate (PubChem CID 10705794) has the molecular formula C13H15NO4 and a molecular weight of 250.27 g/mol. Its IUPAC name is ethyl (2R)-2-deuterio-2-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl (2R)-2-deuterio-2-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]acetate
PubChem CID10705794
Molecular FormulaC13H15NO4
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Nameethyl (2R)-2-deuterio-2-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]acetate
SMILES[2H][C@H](C(=O)OCC)N1C(=O)CO[C@@H]1c1ccccc1
InChIInChI=1S/C13H15NO4/c1-2-17-12(16)8-14-11(15)9-18-13(14)10-6-4-3-5-7-10/h3-7,13H,2,8-9H2,1H3/t13-/m1/s1/i8D/t8-,13-
InChIKeyDTSVNOSQPFYEDC-WXPAUTTBSA-N
XLogP1.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-deuterio-2-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]acetate?
The IUPAC name of ethyl (2R)-2-deuterio-2-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]acetate (CID 10705794) is ethyl (2R)-2-deuterio-2-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]acetate.
What is the SMILES notation for ethyl (2R)-2-deuterio-2-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]acetate?
The canonical SMILES for ethyl (2R)-2-deuterio-2-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]acetate is [2H][C@H](C(=O)OCC)N1C(=O)CO[C@@H]1c1ccccc1.
What is the InChIKey of ethyl (2R)-2-deuterio-2-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]acetate?
The InChIKey is DTSVNOSQPFYEDC-WXPAUTTBSA-N. The full InChI is InChI=1S/C13H15NO4/c1-2-17-12(16)8-14-11(15)9-18-13(14)10-6-4-3-5-7-10/h3-7,13H,2,8-9H2,1H3/t13-/m1/s1/i8D/t8-,13-.
What are the key properties of ethyl (2R)-2-deuterio-2-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]acetate?
ethyl (2R)-2-deuterio-2-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]acetate has a molecular weight of 250.27 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-deuterio-2-[(2R)-4-oxo-2-phenyl-1,3-oxazolidin-3-yl]acetate is sourced from PubChem (CID 10705794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).